#MD System 2.0 @Title neb0_image03 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.207905619919 0.528244585139 0.31400540258} C1 1 1 14 {} {0.261665567741 0.490961416843 0.272361977426} Si1 2 1 14 {} {0.161252945075 0.536589066116 0.233039627106} Si2 3 1 8 {} {0.273962901058 0.522898716938 0.173717052082} O1 4 1 8 {} {0.30190852443 0.511507722536 0.342721193311} O2 5 1 6 {} {0.259616080855 0.397856402941 0.265750808753} C2 6 1 6 {} {0.129509363062 0.45706319996 0.215338512889} C3 7 1 8 {} {0.185705567051 0.562603241982 0.138821464565} O3 8 1 8 {} {0.12604596449 0.597601656197 0.260929456259} O4 9 1 14 {} {0.353256669244 0.540688500633 0.348874021853} Si3 10 1 7 {} {0.387885728322 0.477616067119 0.390329781912} N1 11 1 14 {} {0.441874434296 0.475422763101 0.347771861987} Si4 12 1 14 {} {0.367567932934 0.423200518267 0.472988519103} Si5 13 1 7 {} {0.338233716779 0.460803282431 0.558410347788} N2 14 1 7 {} {0.462876683277 0.555733505282 0.35250206828} N3 15 1 1 {} {0.196238563929 0.499695061377 0.372459661889} H1 16 1 1 {} {0.215847482431 0.579127271616 0.337833695267} H2 17 1 1 {} {0.248848646106 0.54445279082 0.143385176537} H3 18 1 1 {} {0.254402690948 0.374564403344 0.331299683392} H4 19 1 1 {} {0.291288549896 0.37867465944 0.239021169971} H5 20 1 1 {} {0.232849429452 0.381049375438 0.220874350047} H6 21 1 1 {} {0.103032017022 0.463536029125 0.165231963092} H7 22 1 1 {} {0.113865279003 0.439556522443 0.277566349108} H8 23 1 1 {} {0.151782294495 0.417043738948 0.191843969571} H9 24 1 1 {} {0.167010788581 0.585730692316 0.0959992458979} H10 25 1 1 {} {0.0975322735431 0.585149416741 0.286354852263} H11 26 1 1 {} {0.369706380516 0.560760405419 0.259346026733} H12 27 1 1 {} {0.352021296495 0.599288923315 0.409876021612} H13 28 1 1 {} {0.466313478747 0.423775530395 0.400925459709} H14 29 1 1 {} {0.444146350874 0.457534634475 0.251527009264} H15 30 1 1 {} {0.3361774768 0.374154907196 0.432433219671} H16 31 1 1 {} {0.407078712677 0.388907019652 0.511881587506} H17 32 1 1 {} {0.306684751476 0.477439966622 0.54706265188} H18 33 1 1 {} {0.354141821951 0.491716293075 0.602078814622} H19 34 1 1 {} {0.487142505598 0.569901994216 0.308963951743} H20 35 1 1 {} {0.468146023022 0.578059837184 0.412448425805} H21 36 1 6 {} {0.652821686257 0.638003287022 0.498369374789} C4 37 1 14 {} {0.613439168055 0.574132340316 0.451255593265} Si6 38 1 14 {} {0.650271899275 0.724491638467 0.453437068312} Si7 39 1 8 {} {0.609727011888 0.582504578063 0.341576797203} O5 40 1 8 {} {0.63335206082 0.499475243705 0.474975721858} O6 41 1 6 {} {0.556856293247 0.580067833106 0.502194863304} C5 42 1 6 {} {0.602538946713 0.774872278324 0.498233367523} C6 43 1 8 {} {0.646695603556 0.71325264443 0.342905511251} O7 44 1 8 {} {0.697717370015 0.766128496141 0.469340353844} O8 45 1 14 {} {0.643312989567 0.42136696883 0.447499592321} Si8 46 1 7 {} {0.597941849236 0.369031818376 0.465204037164} N4 47 1 14 {} {0.578375858467 0.319818026747 0.376855071255} Si9 48 1 14 {} {0.572956638668 0.365442652515 0.571248710032} Si10 49 1 7 {} {0.608599807997 0.384508796251 0.658163426362} N5 50 1 7 {} {0.612908324122 0.257054959406 0.338563878155} N6 51 1 1 {} {0.648491191358 0.639236295877 0.571398572327} H22 52 1 1 {} {0.686935410465 0.619614667711 0.485889687546} H23 53 1 1 {} {0.622761245806 0.624218257471 0.318958008079} H24 54 1 1 {} {0.556534920036 0.570858631951 0.574504184597} H25 55 1 1 {} {0.535868508269 0.54187969648 0.470331381626} H26 56 1 1 {} {0.5417632067 0.629341530244 0.489681493495} H27 57 1 1 {} {0.601665148749 0.825297676583 0.468772137982} H28 58 1 1 {} {0.604541583185 0.780474548747 0.571235047719} H29 59 1 1 {} {0.570403459862 0.750797580154 0.483279632593} H30 60 1 1 {} {0.653900600845 0.750985053657 0.304738679909} H31 61 1 1 {} {0.697974527179 0.801029889585 0.513986557164} H32 62 1 1 {} {0.654678360517 0.416259989475 0.350434375349} H33 63 1 1 {} {0.682546433579 0.400982405875 0.50216717512} H34 64 1 1 {} {0.536472258781 0.288249601606 0.409624409325} H35 65 1 1 {} {0.570058609475 0.362832804384 0.297260872974} H36 66 1 1 {} {0.535693992469 0.414635417958 0.578715036184} H37 67 1 1 {} {0.556216673583 0.295668568909 0.583625855412} H38 68 1 1 {} {0.614759157743 0.433056850563 0.673329280227} H39 69 1 1 {} {0.635401709023 0.355579864804 0.671963185918} H40 70 1 1 {} {0.637534245727 0.268231113954 0.294469939232} H41 71 1 1 {} {0.622436650611 0.219010671298 0.37964380222} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 19 5 0 0 20 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 19 {0 0 0} 0 28 5 20 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end